5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H19FN6 — CID 50820542

IUPAC5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2ncnc2n1
InChIInChI=1S/C17H19FN6/c1-2-14-11-16(24-17(21-14)19-12-20-24)23-9-7-22(8-10-23)15-5-3-13(18)4-6-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyJWMPTTZYORXUBD-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.15
Rot. Bonds3

About 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 50820542) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID50820542
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2ncnc2n1
InChIInChI=1S/C17H19FN6/c1-2-14-11-16(24-17(21-14)19-12-20-24)23-9-7-22(8-10-23)15-5-3-13(18)4-6-15/h3-6,11-12H,2,7-10H2,1H3
InChIKeyJWMPTTZYORXUBD-UHFFFAOYSA-N
XLogP2.15
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridin-2-amine
CID 133304100
5-ethyl-7-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133422121
7-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46096770
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 133284910
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
5-ethyl-7-[4-(2-iodophenoxy)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133337359
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
5-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 133284931
[(2S)-1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methanol
CID 95296940
7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
CID 133289444

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 50820542) is 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCc1cc(N2CCN(c3ccc(F)cc3)CC2)n2ncnc2n1.
What is the InChIKey of 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JWMPTTZYORXUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-2-14-11-16(24-17(21-14)19-12-20-24)23-9-7-22(8-10-23)15-5-3-13(18)4-6-15/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 326.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 50820542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).